# generated using pymatgen
data_Sc6Ta5InRu12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49133547
_cell_length_b   6.35640687
_cell_length_c   13.45840340
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00044205
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6Ta5InRu12
_chemical_formula_sum   'Sc6 Ta5 In1 Ru12'
_cell_volume   384.22066982
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sc  Sc0  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.49995986  0.50000000  0.16090879  1.0
  Sc  Sc2  1  0.99996278  0.00000000  0.33436999  1.0
  Sc  Sc3  1  0.50000000  0.50000000  0.50000000  1.0
  Sc  Sc4  1  0.00003822  0.00000000  0.66562901  1.0
  Sc  Sc5  1  0.50004114  0.50000000  0.83909121  1.0
  Ta  Ta6  1  0.49997265  0.00000000  0.16580595  1.0
  Ta  Ta7  1  0.99997631  0.50000000  0.33147343  1.0
  Ta  Ta8  1  0.50000000  0.00000000  0.50000000  1.0
  Ta  Ta9  1  0.00002369  0.50000000  0.66852657  1.0
  Ta  Ta10  1  0.50002635  0.00000000  0.83419305  1.0
  In  In11  1  0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru12  1  0.50000000  0.23610342  0.00000000  1.0
  Ru  Ru13  1  0.50000000  0.76389758  0.00000000  1.0
  Ru  Ru14  1  0.99995161  0.24502454  0.17256477  1.0
  Ru  Ru15  1  0.99995161  0.75497546  0.17256477  1.0
  Ru  Ru16  1  0.49996941  0.25141818  0.33432380  1.0
  Ru  Ru17  1  0.49996941  0.74858082  0.33432380  1.0
  Ru  Ru18  1  0.00000000  0.25007904  0.50000000  1.0
  Ru  Ru19  1  0.00000000  0.74992096  0.50000000  1.0
  Ru  Ru20  1  0.50002959  0.25141818  0.66567520  1.0
  Ru  Ru21  1  0.50002959  0.74858082  0.66567520  1.0
  Ru  Ru22  1  0.00004739  0.24502454  0.82743523  1.0
  Ru  Ru23  1  0.00004739  0.75497546  0.82743523  1.0